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4H-1-Benzothiopyran-4-one, 2-(4-methylphenyl)-
SpectraBase Compound ID 5bzTsxioiK9
InChI InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKey ATABXHHIXMGTFA-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C16H12OS
Exact Mass 252.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EacCwnpwAaK
Name 4H-1-Benzothiopyran-4-one, 2-(4-methylphenyl)-
CAS Registry Number 93367-50-1
Comments Less than 3 mono-isotopic peaks
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Formula C16H12OS
InChI InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKey ATABXHHIXMGTFA-UHFFFAOYSA-N
Molecular Weight 252.331 g/mol
SMILES C=1(Sc2ccccc2C(C1)=O)c1ccc(cc1)C
SPLASH splash10-0fk9-0090000000-9d6e6f4ca166853434d3
Source of Spectrum AJ-57-2324-1
Synonyms 2-(4-methylphenyl)-4H-1-benzothiopyran-4-one 2-(p-methylphenyl)-4H-1-benzothiopyran-4-one
Wiley ID 1255998